Found 3 hits for monomerid = 50119620 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119620
(CHEMBL3618244)Show SMILES COc1ccc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cn1 Show InChI InChI=1S/C187H315N49O56/c1-27-31-49-110(206-154(263)111(50-35-40-73-188)207-159(268)116(55-45-78-201-184(195)196)213-173(282)130(84-99(13)14)231-182(291)186(25,90-100(15)16)235-178(287)132(86-109-92-199-94-203-109)228-174(283)131(85-108-47-33-32-34-48-108)227-177(286)136(93-237)230-172(281)129(83-98(11)12)226-176(285)134(88-146(256)257)205-107(24)239)167(276)232-149(103(20)29-3)181(290)221-125(64-72-145(254)255)168(277)233-150(104(21)30-4)180(289)220-124(63-71-144(252)253)166(275)210-112(51-36-41-74-189)156(265)214-118(57-65-137(192)240)161(270)218-121(60-68-141(246)247)163(272)209-113(52-37-42-75-190)157(266)216-120(59-67-140(244)245)162(271)208-114(53-38-43-76-191)158(267)217-122(61-69-142(248)249)165(274)219-123(62-70-143(250)251)164(273)215-119(58-66-139(242)243)153(262)204-105(22)152(261)222-133(87-138(193)241)175(284)212-115(54-39-44-77-200-106(23)238)155(264)211-117(56-46-79-202-185(197)198)160(269)223-126(80-95(5)6)169(278)224-127(81-96(7)8)170(279)225-128(82-97(9)10)171(280)229-135(89-147(258)259)179(288)236-187(26,91-101(17)18)183(292)234-148(151(194)260)102(19)28-2/h32-34,47-48,92,94-105,110-136,148-150,237H,27-31,35-46,49-91,93,188-191H2,1-26H3,(H2,192,240)(H2,193,241)(H2,194,260)(H,199,203)(H,200,238)(H,204,262)(H,205,239)(H,206,263)(H,207,268)(H,208,271)(H,209,272)(H,210,275)(H,211,264)(H,212,284)(H,213,282)(H,214,265)(H,215,273)(H,216,266)(H,217,267)(H,218,270)(H,219,274)(H,220,289)(H,221,290)(H,222,261)(H,223,269)(H,224,278)(H,225,279)(H,226,285)(H,227,286)(H,228,283)(H,229,280)(H,230,281)(H,231,291)(H,232,276)(H,233,277)(H,234,292)(H,235,287)(H,236,288)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,195,196,201)(H4,197,198,202)/t102?,103?,104?,105-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131+,132-,133-,134-,135-,136-,148+,149-,150-,186+,187+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha (unknown origin) by alpha screen assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50119620
(CHEMBL3618244)Show SMILES COc1ccc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cn1 Show InChI InChI=1S/C187H315N49O56/c1-27-31-49-110(206-154(263)111(50-35-40-73-188)207-159(268)116(55-45-78-201-184(195)196)213-173(282)130(84-99(13)14)231-182(291)186(25,90-100(15)16)235-178(287)132(86-109-92-199-94-203-109)228-174(283)131(85-108-47-33-32-34-48-108)227-177(286)136(93-237)230-172(281)129(83-98(11)12)226-176(285)134(88-146(256)257)205-107(24)239)167(276)232-149(103(20)29-3)181(290)221-125(64-72-145(254)255)168(277)233-150(104(21)30-4)180(289)220-124(63-71-144(252)253)166(275)210-112(51-36-41-74-189)156(265)214-118(57-65-137(192)240)161(270)218-121(60-68-141(246)247)163(272)209-113(52-37-42-75-190)157(266)216-120(59-67-140(244)245)162(271)208-114(53-38-43-76-191)158(267)217-122(61-69-142(248)249)165(274)219-123(62-70-143(250)251)164(273)215-119(58-66-139(242)243)153(262)204-105(22)152(261)222-133(87-138(193)241)175(284)212-115(54-39-44-77-200-106(23)238)155(264)211-117(56-46-79-202-185(197)198)160(269)223-126(80-95(5)6)169(278)224-127(81-96(7)8)170(279)225-128(82-97(9)10)171(280)229-135(89-147(258)259)179(288)236-187(26,91-101(17)18)183(292)234-148(151(194)260)102(19)28-2/h32-34,47-48,92,94-105,110-136,148-150,237H,27-31,35-46,49-91,93,188-191H2,1-26H3,(H2,192,240)(H2,193,241)(H2,194,260)(H,199,203)(H,200,238)(H,204,262)(H,205,239)(H,206,263)(H,207,268)(H,208,271)(H,209,272)(H,210,275)(H,211,264)(H,212,284)(H,213,282)(H,214,265)(H,215,273)(H,216,266)(H,217,267)(H,218,270)(H,219,274)(H,220,289)(H,221,290)(H,222,261)(H,223,269)(H,224,278)(H,225,279)(H,226,285)(H,227,286)(H,228,283)(H,229,280)(H,230,281)(H,231,291)(H,232,276)(H,233,277)(H,234,292)(H,235,287)(H,236,288)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,195,196,201)(H4,197,198,202)/t102?,103?,104?,105-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131+,132-,133-,134-,135-,136-,148+,149-,150-,186+,187+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of PI3Kalpha in human U87MG cells assessed as reduction in AKT Ser473 phosphorylation incubated for 2 hrs followed by compound wahout by a... |
Bioorg Med Chem Lett 25: 4136-42 (2015)
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50119620
(CHEMBL3618244)Show SMILES COc1ccc(Nc2nc3ccc(cn3c2-c2nc(C)nc(N)n2)C(C)(C)O)cn1 Show InChI InChI=1S/C187H315N49O56/c1-27-31-49-110(206-154(263)111(50-35-40-73-188)207-159(268)116(55-45-78-201-184(195)196)213-173(282)130(84-99(13)14)231-182(291)186(25,90-100(15)16)235-178(287)132(86-109-92-199-94-203-109)228-174(283)131(85-108-47-33-32-34-48-108)227-177(286)136(93-237)230-172(281)129(83-98(11)12)226-176(285)134(88-146(256)257)205-107(24)239)167(276)232-149(103(20)29-3)181(290)221-125(64-72-145(254)255)168(277)233-150(104(21)30-4)180(289)220-124(63-71-144(252)253)166(275)210-112(51-36-41-74-189)156(265)214-118(57-65-137(192)240)161(270)218-121(60-68-141(246)247)163(272)209-113(52-37-42-75-190)157(266)216-120(59-67-140(244)245)162(271)208-114(53-38-43-76-191)158(267)217-122(61-69-142(248)249)165(274)219-123(62-70-143(250)251)164(273)215-119(58-66-139(242)243)153(262)204-105(22)152(261)222-133(87-138(193)241)175(284)212-115(54-39-44-77-200-106(23)238)155(264)211-117(56-46-79-202-185(197)198)160(269)223-126(80-95(5)6)169(278)224-127(81-96(7)8)170(279)225-128(82-97(9)10)171(280)229-135(89-147(258)259)179(288)236-187(26,91-101(17)18)183(292)234-148(151(194)260)102(19)28-2/h32-34,47-48,92,94-105,110-136,148-150,237H,27-31,35-46,49-91,93,188-191H2,1-26H3,(H2,192,240)(H2,193,241)(H2,194,260)(H,199,203)(H,200,238)(H,204,262)(H,205,239)(H,206,263)(H,207,268)(H,208,271)(H,209,272)(H,210,275)(H,211,264)(H,212,284)(H,213,282)(H,214,265)(H,215,273)(H,216,266)(H,217,267)(H,218,270)(H,219,274)(H,220,289)(H,221,290)(H,222,261)(H,223,269)(H,224,278)(H,225,279)(H,226,285)(H,227,286)(H,228,283)(H,229,280)(H,230,281)(H,231,291)(H,232,276)(H,233,277)(H,234,292)(H,235,287)(H,236,288)(H,242,243)(H,244,245)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,195,196,201)(H4,197,198,202)/t102?,103?,104?,105-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131+,132-,133-,134-,135-,136-,148+,149-,150-,186+,187+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Inhibition of GST-tagged mTOR (1360 to 2549 residues) (unknown origin) using Ulight 4eBP1 peptide incubated for 90 mins by HTRF assay |
Bioorg Med Chem Lett 25: 4136-42 (2015)
BindingDB Entry DOI: 10.7270/Q2R49SKC |
More data for this
Ligand-Target Pair | |
Search and Browse
